BAS 00691440
TL;DR: BAS 00691440 (CAS 314760-68-4) is a chemical compound with molecular formula C23H21ClN6O3S and molecular weight 496.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: BAS 00691440, (4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[2-(3-chloro-2-methylphenyl)hydrazinylidene]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(3-chloro-2-methylphenyl)hydrazono]-5-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(3-chloro-2-methylphenyl)hydrazinylidene]-5-(4-nitrophenyl)pyrazol-3-one, (4Z)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(3-chloro-2-methylphenyl)hydrazinylidene]-5-(4-nitrophenyl)pyrazol-3-one
| Molecular Formula | C23H21ClN6O3S |
|---|---|
| Molecular Weight | 496.11 g/mol |
| LogP | 6.87202 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.10843 |
| Heavy Atoms | 34 |
| Complexity | 1461.3348 |
Chemical Identifiers
| CAS Number | 314760-68-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N=NC2=C(NN(C2=O)C3=NC(=CS3)C(C)(C)C)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
BAS 00691440 (CAS 314760-68-4), with molecular formula C23H21ClN6O3S and molecular weight 496.11 g/mol. IUPAC: 2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(3-chloro-2-methylphenyl)diazenyl]-5-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of BAS 00691440
Property Insights of BAS 00691440
The XLogP value of 6.87202 indicates that BAS 00691440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00691440. Following Lipinski's Rule of Five, BAS 00691440 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00691440?
The CAS number of BAS 00691440 is 314760-68-4.
What is the molecular formula of BAS 00691440?
The molecular formula of BAS 00691440 is C23H21ClN6O3S.
What is the molecular weight of BAS 00691440?
The molecular weight of BAS 00691440 is 496.11 g/mol.
Where can I buy BAS 00691440?
You can request a quote for BAS 00691440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00691440?
Yes, KEHONG BIO provides custom synthesis services for BAS 00691440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.